N-(3,4-dimethylphenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]methanesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]methanesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]methanesulfonamide CAS Name: N-(3,4-dimethylphenyl)-N-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]methanesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]methanesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]methanesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H29N3O3S/c1-17-5-10-21(15-18(17)2)25(29(4,27)28)16-19-6-8-20(9-7-19)22(26)24-13-11-23(3)12-14-24/h5-10,15H,11-14,16H2,1-4H3/p+1